N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide

C21H21BrN4O2 — CID 33106508

IUPACN-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1)c1ccccc1
InChIInChI=1S/C21H21BrN4O2/c22-18-9-5-4-8-17(18)21-25-24-19(28-21)14-26-12-10-16(11-13-26)23-20(27)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,27)
InChIKeyBAKLXWLXBMBGTI-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.89
Rot. Bonds5

About N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide

N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 33106508) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
PubChem CID33106508
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC NameN-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1)c1ccccc1
InChIInChI=1S/C21H21BrN4O2/c22-18-9-5-4-8-17(18)21-25-24-19(28-21)14-26-12-10-16(11-13-26)23-20(27)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,27)
InChIKeyBAKLXWLXBMBGTI-UHFFFAOYSA-N
XLogP3.89
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 16580752
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442068
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669569
1-[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30807595
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
2-(2-bromophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449579
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030
N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 10476224
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide (CID 33106508) is N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is BAKLXWLXBMBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c22-18-9-5-4-8-17(18)21-25-24-19(28-21)14-26-12-10-16(11-13-26)23-20(27)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,27).
What are the key properties of N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide?
N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 441.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33106508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).